Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02119875
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
34T | (3R)-8-(dioxidosulfanyl)-3-methyl- 1,2,3,4-tetrahydroquinoline | H | 1ETR | 0.83 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.73 | |
DSY | 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID | C,D | 1BDA | 0.74 | |
AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAR | 0.7 | |
AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAS | 0.7 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
TK4 | 2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID | H,L | 1C5C | 0.73 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.74 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.72 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.77 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.75 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.76 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.71 | |
IDM | INDOLINE | A,B | 3CEP | 0.79 | |
IDM | INDOLINE | A | 1AEK | 0.79 | |
MNS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.75 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.78 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 3CFN | 0.71 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 2ANS | 0.71 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1OW4 | 0.71 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A | 1EYN | 0.71 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1TXC | 0.71 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.76 | |
ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,J | 1CVW | 0.74 | |
ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1A4W | 0.74 | |
ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1FPC | 0.74 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.74 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.73 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.73 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.73 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.73 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.73 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.8 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.74 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.72 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.71 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.81 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.81 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.81 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.81 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.72 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.76 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.76 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.74 |